MI-463

组蛋白甲基转移酶抑制剂

COA

级别和纯度:

≥99%

CAS编号: 1628317-18-9
分子式: C₂₄H₂₃F₃N₆S
分子量: 484.54
PubChem编号: 90455046
PubChem SID: 488202498

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货号 (SKU)	包装规格	是否现货
M413841-5mg	5mg	现货
M413841-25mg	25mg	现货
M413841-50mg	50mg	现货
M413841-100mg	100mg	现货

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Epigenetic Reader Domain (784) 表观遗传学 (1497)

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基本描述

英文别名	1H-Indole-2-carbonitrile,4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-piperidinyl]methyl]-
规格或纯度	≥99%
英文名称	MI-463
生化机理	MI-463 是 Menin-MLL 相互作用的强效抑制剂，其 IC50 值为 15.3 nM。
储存温度	-20°C储存
运输条件	超低温冰袋运输
产品介绍	Information MI-463 MI-463 is a potent inhibitor of Menin-MLL interaction with an IC50 value of 15.3 nM. Targets Menin-MLL interaction (Cell-free assay) 15.3 nM In vitro MI-463 demonstrates profound on-target activity in MLL leukemia cells. MI-463 results in substantial growth inhibition, with half-maximal growth inhibitory concentration (GI50) values of 0.23 μM, measured after 7 days of treatment in MLL leukemia cells. MI-463 is effective in inducing differentiation of MLL leukemia cells. Treatment with sub-micromolar concentrations of MI-463 also leads to markedly reduced expression of Hoxa9 and Meis1, downstream targets of MLL fusion proteins substantially upregulated in MLL leukemias. In vivo MI-463 shows substantial survival benefit in mouse models of MLL leukemia. It has very favorable druglike properties, including metabolic stability and PK profile in mice. MI-463 achieves high levels in peripheral blood following a single intravenous or oral dose, while also showing high oral bioavailability(∼45%). In a mouse xenograft model using MV4;11 human MLL leukemia cells implanted into BALB/c nude mice, MI-463 induces strong inhibition of tumor growth with once-daily intraperitoneal (i.p.) administration. It does not impair normal hematopoiesis in vivo. Cell Research(from reference) Cell lines：leukemia cells Incubation Time：6 or 7 days
纯度	≥99%

产品属性

ALogP	5.372
hba_count	2
HBD Count	2
Rotatable Bond	6

关联靶点（人）

MEN1 Tchem 梅宁(Menin) (2 活性数据)

点击查看靶蛋白信息： MEN1

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

MEN1 Tchem Menin (447 活性数据)

点击查看靶蛋白信息： MEN1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 活性数据)

点击查看靶蛋白信息： MEN1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	488202498
分子类型	小分子
IIUPAC Name	4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile
INCHI	1S/C24H23F3N6S/c1-14-15(2-3-21-19(14)8-17(11-28)31-21)12-33-6-4-16(5-7-33)32-22-20-9-18(10-24(25,26)27)34-23(20)30-13-29-22/h2-3,8-9,13,16,31H,4-7,10,12H2,1H3,(H,29,30,32)
InChi Key	DZACSLYTXLZAAF-UHFFFAOYSA-N
Smiles	CC1=C(C=CC2=C1C=C(N2)C#N)CN3CCC(CC3)NC4=C5C=C(SC5=NC=N4)CC(F)(F)F
Isomeric SMILES	CC1=C(C=CC2=C1C=C(N2)C#N)CN3CCC(CC3)NC4=C5C=C(SC5=NC=N4)CC(F)(F)F
分子量	484.54
Reaxy-Rn	27586284
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27586284&ln=

化学和物理性质

溶解性	Solubility (25°C) In vitro DMSO: 96 mg/mL (198.12 mM); Ethanol: 22 mg/mL (45.4 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility	96
DMSO(mM) Max Solubility	198.1260577
Water(mg / mL) Max Solubility	＜1
分子量	484.500 g/mol
XLogP3	5.900
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	9
可旋转键计数Rotatable Bond Count	5
精确质量Exact Mass	484.166 Da
单同位素质量Monoisotopic Mass	484.166 Da
拓扑极表面积Topological Polar Surface Area	109.000 Å²
重原子数Heavy Atom Count	34
形式电荷Formal Charge	0
复杂度Complexity	751.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

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批号(Lot Number)	证书类型	货号
C23071014	分析证书	M413841
C23071015	分析证书	M413841
C23071021	分析证书	M413841
C23071043	分析证书	M413841
C23071057	分析证书	M413841
C23071064	分析证书	M413841
C23071075	分析证书	M413841